Geometry & MOs

Info

ID:	233413
PubChem CID:	90271436
Reduced:	FN6H25C33 (1)
Stoich.:	AB6C25D33 (1)
Weight, g/mol:	533.277738
ΔH_f, kcal/mol:	177.42
Dipole, Da:	3.25
IP(EA), eV:	-8.49(-1.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-[4-[(E)-2-(1,3-benzodioxol-5-yl)-1-cyanoethenyl]-2-methoxyphenoxy]undecyl 2-methylprop-2-enoate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CNCC2=CC(=CN=C2)C3=CC\4=C(C=C3)NN/C4=C\5/N=C6C=CC=C(C6=N5)C7=CC=C(C=C7)F

DOS

IR

Vibrations